1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine

C13H17ClN2 — CID 83868417

IUPAC1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine
SMILESCNC(C)c1cn(C)c2c(C)c(Cl)ccc12
InChIInChI=1S/C13H17ClN2/c1-8-12(14)6-5-10-11(9(2)15-3)7-16(4)13(8)10/h5-7,9,15H,1-4H3
InChIKeyYNILLSWVVXUBIX-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.42
Rot. Bonds2

About 1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine

1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine (PubChem CID 83868417) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine
PubChem CID83868417
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine
SMILESCNC(C)c1cn(C)c2c(C)c(Cl)ccc12
InChIInChI=1S/C13H17ClN2/c1-8-12(14)6-5-10-11(9(2)15-3)7-16(4)13(8)10/h5-7,9,15H,1-4H3
InChIKeyYNILLSWVVXUBIX-UHFFFAOYSA-N
XLogP3.42
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine
CID 83868421
1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine
CID 117197621
1-(7-methoxy-1-methylindol-3-yl)-N-methylethanamine
CID 83860032
(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 96656380
1-(6-chloro-1-propan-2-ylindol-3-yl)-N-methylethanamine
CID 117196326
1-(1-ethyl-6-methylindol-3-yl)-N-methylethanamine
CID 117196201
3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine
CID 82497738
1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
CID 83868332
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine
CID 83948657
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
CID 117197935
(1S)-1-(1-ethylindol-3-yl)-N-methylethanamine
CID 124705704

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine?
The IUPAC name of 1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine (CID 83868417) is 1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine is CNC(C)c1cn(C)c2c(C)c(Cl)ccc12.
What is the InChIKey of 1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine?
The InChIKey is YNILLSWVVXUBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-8-12(14)6-5-10-11(9(2)15-3)7-16(4)13(8)10/h5-7,9,15H,1-4H3.
What are the key properties of 1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine?
1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine has a molecular weight of 236.75 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine is sourced from PubChem (CID 83868417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).